Aporphine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aporphine Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN1CCc2cccc3c2C1CC1=C3C=CC2OC12 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CNC1CC2=C(C=CC3OC23)c2cccc(CC(=O)O)c21 Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CNC1CC2=C(C=CC3OC23)C2=C1C(=CC(=O)O)C(=O)C=C2 stable oxygenation prediction

CNC1CC2=C(C=CC3OC23)C2=C1C(=CC(=O)O)C(=O)C=C2 unstable oxygenation prediction

CNC1CC2=C(C=CC3OC23)C2=C1C(=CC(=O)O)C(=O)C=C2 dehydrogenation prediction

CNC1CC2=C(C=CC3OC23)C2=C1C(=CC(=O)O)C(=O)C=C2 reduction prediction

CNC1CC2=C(C=CC3OC23)C2=C1C(=CC(=O)O)C(=O)C=C2 hydrolysis prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 104 metabolites